Crystallography Open Database

Information card for entry 7063511

Preview

Coordinates	7063511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H29 Cl Ni O4 P2
Calculated formula	C41 H29 Cl Ni O4 P2
Title of publication	Naphthyl and biphenyl para-substituted POCOP-Ni(ii) pincer complexes as efficient catalysts in C–S cross-coupling reactions
Authors of publication	López-Robledo, Luis E.; Ortiz-Fuentes, Evelin E.; Rufino-Felipe, Ernesto; Serrano-García, Juan S.; Arenaza-Corona, Antonino; Hernandez-Ortega, Simón; Valdés, Hugo; Gonzalez-Sebastian, Lucero; Reyes-Márquez, Viviana; Morales-Morales, David
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	9
Pages of publication	3426 - 3435
a	9.136 ± 0.0004 Å
b	29.4452 ± 0.0016 Å
c	12.7283 ± 0.0007 Å
α	90°
β	94.484 ± 0.002°
γ	90°
Cell volume	3413.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299036 (current)	2025-04-05	cif/ Updating files of 7063510, 7063511, 7063512 Original log message: Adding full bibliography for 7063510--7063512.cif.	7063511.cif
295708	2024-11-01	cif/ Adding structures of 7063510, 7063511, 7063512 via cif-deposit CGI script.	7063511.cif